dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane

C13H19F3O3Si — CID 90172605

IUPACdihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
SMILESCO[Si](O)(O)CCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C13H19F3O3Si/c1-19-20(17,18)7-5-3-2-4-6-10-8-12(15)13(16)9-11(10)14/h8-9,17-18H,2-7H2,1H3
InChIKeyKYAXUAAZUUHKHL-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.78
Rot. Bonds8

About dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane

dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane (PubChem CID 90172605) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane.

Molecular Properties

Compound Namedihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
PubChem CID90172605
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Namedihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
SMILESCO[Si](O)(O)CCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C13H19F3O3Si/c1-19-20(17,18)7-5-3-2-4-6-10-8-12(15)13(16)9-11(10)14/h8-9,17-18H,2-7H2,1H3
InChIKeyKYAXUAAZUUHKHL-UHFFFAOYSA-N
XLogP2.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
CID 90175060
CID 90174905
CID 90174905
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924
CID 90170957
CID 90170957
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90172693
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane?
The IUPAC name of dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane (CID 90172605) is dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane.
What is the SMILES notation for dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane?
The canonical SMILES for dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane is CO[Si](O)(O)CCCCCCc1cc(F)c(F)cc1F.
What is the InChIKey of dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane?
The InChIKey is KYAXUAAZUUHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c1-19-20(17,18)7-5-3-2-4-6-10-8-12(15)13(16)9-11(10)14/h8-9,17-18H,2-7H2,1H3.
What are the key properties of dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane?
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane has a molecular weight of 308.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane is sourced from PubChem (CID 90172605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).